Unusual magnetic properties induced by local structure in a quasi-one-dimensional Ising chain system: alpha-CoV2O6

Abstract

We have investigated the origins of large orbitalmagnetic moment (OM) and unique magnetic anisotropy in the quasi-1Dmagnetic cobaltate, alpha-CoV2O6, employing both the ab initio band structuremethod and the microscopic cluster model calculations. We have found that the peculiar crystal electric field effect in alpha-CoV2O6 combined with the strong spin-orbit coupling induces the unusually large OM and other intriguing magnetic properties of alpha-CoV2O6. The observed 1/3 magnetization plateau in the M-H curve is explained by the spin-flip mechanism based on the MC simulation. Anomalous magnetic entropy behavior is attributed to the strong uniaxial magnetic anisotropy in the quasi-1D Ising chain system.